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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50079938   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50079938
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(3,4,5,6...)
Show SMILES C(NCC1COc2ccccc2O1)C1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C20H25N3O2/c1-2-6-19-18(5-1)24-15-17(25-19)14-21-13-16-8-11-23(12-9-16)20-7-3-4-10-22-20/h1-7,10,16-17,21H,8-9,11-15H2
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PC sid
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27n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50079938
PNG
((2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-(3,4,5,6...)
Show SMILES C(NCC1COc2ccccc2O1)C1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C20H25N3O2/c1-2-6-19-18(5-1)24-15-17(25-19)14-21-13-16-8-11-23(12-9-16)20-7-3-4-10-22-20/h1-7,10,16-17,21H,8-9,11-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
27n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair